(2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide

C16H25NO4 — CID 101322217

IUPAC(2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide
SMILESCC(C)(CO)[C@@H](O)C(=O)NCCCOCc1ccccc1
InChIInChI=1S/C16H25NO4/c1-16(2,12-18)14(19)15(20)17-9-6-10-21-11-13-7-4-3-5-8-13/h3-5,7-8,14,18-19H,6,9-12H2,1-2H3,(H,17,20)/t14-/m0/s1
InChIKeyURRCWOCFERMKTJ-AWEZNQCLSA-N
MW295.38 g/mol
LogP1.09
Rot. Bonds9

About (2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide

(2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide (PubChem CID 101322217) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is (2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide.

Molecular Properties

Compound Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide
PubChem CID101322217
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide
SMILESCC(C)(CO)[C@@H](O)C(=O)NCCCOCc1ccccc1
InChIInChI=1S/C16H25NO4/c1-16(2,12-18)14(19)15(20)17-9-6-10-21-11-13-7-4-3-5-8-13/h3-5,7-8,14,18-19H,6,9-12H2,1-2H3,(H,17,20)/t14-/m0/s1
InChIKeyURRCWOCFERMKTJ-AWEZNQCLSA-N
XLogP1.09
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide?
The IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide (CID 101322217) is (2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide.
What is the SMILES notation for (2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide?
The canonical SMILES for (2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide is CC(C)(CO)[C@@H](O)C(=O)NCCCOCc1ccccc1.
What is the InChIKey of (2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide?
The InChIKey is URRCWOCFERMKTJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25NO4/c1-16(2,12-18)14(19)15(20)17-9-6-10-21-11-13-7-4-3-5-8-13/h3-5,7-8,14,18-19H,6,9-12H2,1-2H3,(H,17,20)/t14-/m0/s1.
What are the key properties of (2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide?
(2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide has a molecular weight of 295.38 g/mol, XLogP of 1.09, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide is sourced from PubChem (CID 101322217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).